SCHEMBL7251010

SCHEMBL7251010

O=C(c1ccccc1)N(O)CCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 3/20 0.58
GFER P55789 1/20 0.56
HRH3 Q9Y5N1 4/20 0.50
LTA4H P09960 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD3 P35462 1/20 0.45
TSHR P16473 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5147435 0.81 HRH3 (0.60) ALDH1A1KMT2AGFERHRH3SIGMAR1
SCHEMBL9995252 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AGFERHRH3LTA4H
SCHEMBL3278961 0.77 ALOX5 (0.51) ALDH1A1KMT2AKDM4EHPGDTSHR
SCHEMBL5758121 0.77 ADRA2C (0.61) ALDH1A1KMT2AGFERPOLBKDM4E
SCHEMBL5356971 0.73 ALDH1A1 (1.00) ALDH1A1KMT2AGFERPOLBHPGD
SCHEMBL10107784 0.73 ALDH1A1 (1.00) ALDH1A1KMT2AGFERPOLBHPGD
SCHEMBL5753660 0.73 SIGMAR1 (0.57) ALDH1A1KDM4ESIGMAR1TSHR
Hydrochloric Acid SCHEMBL29354698 0.72 ALDH1A1 (1.00) ALDH1A1KMT2AGFERPOLBSIGMAR1
Hydrochloric Acid SCHEMBL10675086 0.72 ALDH1A1 (1.00) ALDH1A1KMT2AGFERPOLBSIGMAR1
SCHEMBL7203830 0.72 ALOX5 (0.47) ALDH1A1KMT2AKDM4EHPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030009030-A1 Novel selective deacetylating agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-09 US disclosed
EP-1245550-A1 NOVEL SELECTIVE DEACETYLATING AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030009030-A1 Novel selective deacetylating agents HDAC1, HDAC11, HDAC3 ALDH1A1 1010/4885KMT2A 106/4885GFER 4167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.